2-[[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]amino]methyl]-4-nitro-phenolate Formula: C16H11ClFN2O4- MolecularWeight: 349.720943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl)F

InChI

InChI=1S/C16H12ClFN2O4/c17-13-7-10(1-4-14(13)18)2-6-16(22)19-9-11-8-12(20(23)24)3-5-15(11)21/h1-8,21H,9H2,(H,19,22)/p-1/b6-2+